CID 14521711

11,11-difluoro-9z-dodecenyl acetate

Structural Information

Molecular Formula
C14H24F2O2
SMILES
CC(=O)OCCCCCCCC/C=C\C(C)(F)F
InChI
InChI=1S/C14H24F2O2/c1-13(17)18-12-10-8-6-4-3-5-7-9-11-14(2,15)16/h9,11H,3-8,10,12H2,1-2H3/b11-9-
InChIKey
XRYUEUXQCVPHNH-LUAWRHEFSA-N
Compound name
[(Z)-11,11-difluorododec-9-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

262.17444 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.18172 164.4
[M+Na]+ 285.16366 169.4
[M-H]- 261.16716 160.9
[M+NH4]+ 280.20826 181.4
[M+K]+ 301.13760 166.8
[M+H-H2O]+ 245.17170 157.3
[M+HCOO]- 307.17264 181.9
[M+CH3COO]- 321.18829 198.7
[M+Na-2H]- 283.14911 165.6
[M]+ 262.17389 166.5
[M]- 262.17499 166.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe